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| CAS No.: | 208255-80-5 |
|---|---|
| Name: | DAPT |
| Molecular Structure: | |
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| Formula: | C23H26F2N2O4 |
| Molecular Weight: | 432.467 |
| Synonyms: | tert-Butyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)ethanoate;N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenyl]glycine-1,1-dimethylethyl ester;DAPT;DAPT (enzyme inhibitor);γ-Secretase inhibitor IX; |
| Density: | 1.213 g/cm3 |
| Boiling Point: | 612.2 °C at 760 mmHg |
| Flash Point: | 324.1 °C |
| Solubility: | 18 mg/mL in DMSO |
| Appearance: | white solid |
| Safety: | 24/25 |
| PSA: | 84.50000 |
| LogP: | 3.99300 |
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The Glycine, N-[(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-,1,1-dimethylethyl ester, (2S)-, with the CAS registry number 88255-01-0, is also known as N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenyl]glycine-1,1-dimethylethyl ester. It belongs to the product categories of Angiogenesis and Metastasis; Protease inhibitor. This chemical's molecular formula is C23H26F2N2O4 and molecular weight is 432.46. What's more, its systematic name is tert-butyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)ethanoate.
Physical properties of Glycine, N-[(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-,1,1-dimethylethyl ester, (2S)- are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 627.19; (6)ACD/BCF (pH 7.4): 627.19; (7)ACD/KOC (pH 5.5): 3499.29; (8)ACD/KOC (pH 7.4): 3499.27; (9)#H bond acceptors: 6; (10)#bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 110.92 cm3; (15)Molar Volume: 356.4 cm3; (16)Polarizability: 43.97×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.213 g/cm3; (19)Flash Point: 324.1 °C; (20)Enthalpy of Vaporization: 90.89 kJ/mol; (21)Boiling Point: 612.2 °C at 760 mmHg; (22)Vapour Pressure: 6.31E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)CC(=O)N[C@H](C(=O)N[C@@H](c2ccccc2)C(=O)OC(C)(C)C)C
(2)Std. InChI: InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1
(3)Std. InChIKey: DWJXYEABWRJFSP-XOBRGWDASA-N
